SCHEMBL21774648

SCHEMBL21774648

COC(=O)C(Br)c1cccnc1C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 4/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26049094 0.86 SLC6A3 (0.33) SLC6A3ALDH1A1PDE10ANPC1RAB9A
SCHEMBL31071953 0.82 SLC6A3 (0.50) SLC6A3
SCHEMBL21767381 0.82 SLC6A3 (0.50) SLC6A3
SCHEMBL21767400 0.78 SLC6A3 (0.45) SLC6A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21774629 0.74 HPGD (0.38) SLC6A3ALDH1A1PDE10ANPC1RAB9A
SCHEMBL23323907 0.73 CHRNA7 (0.40) ALDH1A1PDE10AIDH1
SCHEMBL21767458 0.73 SLC6A3 (0.40) SLC6A3
SCHEMBL21767591 0.73 SLC6A3 (0.40) SLC6A3
SCHEMBL31071993 0.73 SLC6A3 (0.40) SLC6A3
SCHEMBL9369196 0.72 PDE10A (0.42) ALDH1A1PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
CN-118878533-A Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-11-01 CN disclosed
CN-112805001-B Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-07-23 CN disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12459942-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV SLC6A3 3660/4885ALDH1A1 1629/4885NPSR1 3269/4885
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV SLC6A3 3649/4885ALDH1A1 1504/4885NPSR1 3329/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV SLC6A3 3649/4885ALDH1A1 1504/4885NPSR1 3329/4885
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV SLC6A3 3649/4885ALDH1A1 1504/4885NPSR1 3329/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV SLC6A3 3649/4885ALDH1A1 1504/4885NPSR1 3329/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV SLC6A3 3649/4885ALDH1A1 1504/4885NPSR1 3329/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV SLC6A3 3660/4885ALDH1A1 1629/4885NPSR1 3269/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV SLC6A3 3660/4885ALDH1A1 1629/4885NPSR1 3269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.